0L8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | O17 | sing | 1.43Å | 1.41Å | |
| C16 | C1 | sing | 1.51Å | 1.50Å | |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.44Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.45Å | Aromatic |
| C3 | BR1 | sing | 1.89Å | 1.86Å | |
| C3 | C4 | doub | 1.39Å | 1.47Å | Aromatic |
| C5 | C13 | sing | 1.48Å | 1.46Å | |
| C5 | C4 | sing | 1.40Å | 1.47Å | Aromatic |
| C13 | C17 | doub | 1.36Å | 1.33Å | Aromatic |
| C13 | C14 | sing | 1.47Å | 1.43Å | Aromatic |
| C4 | C7 | sing | 1.48Å | 1.58Å | |
| C17 | O1 | sing | 1.34Å | 1.32Å | Aromatic |
| C14 | C15 | doub | 1.34Å | 1.31Å | Aromatic |
| O1 | C15 | sing | 1.34Å | 1.37Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.46Å | Aromatic |
| C7 | C12 | sing | 1.39Å | 1.45Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.44Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.44Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.43Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.45Å | Aromatic |
| C10 | O14 | sing | 1.36Å | 1.36Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| O14 | H7 | sing | 0.97Å | 0.95Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| O17 | H10 | sing | 0.97Å | 0.95Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O17 | C16 | C1 | 108.9° | 109.5° |
| O17 | C16 | H8 | 109.6° | 109.4° |
| O17 | C16 | H9 | 109.6° | 109.5° |
| C16 | O17 | H10 | 109.5° | 114.0° |
| C16 | C1 | C2 | 121.1° | 119.8° |
| C16 | C1 | C6 | 121.3° | 119.8° |
| C1 | C16 | H8 | 109.6° | 109.5° |
| C1 | C16 | H9 | 109.6° | 109.5° |
| C2 | C1 | C6 | 117.6° | 120.4° |
| C1 | C2 | C3 | 122.1° | 120.4° |
| C1 | C2 | H1 | 118.9° | 119.8° |
| C1 | C6 | C5 | 122.9° | 120.0° |
| C1 | C6 | H2 | 118.6° | 120.0° |
| C2 | C3 | BR1 | 112.3° | 120.1° |
| C2 | C3 | C4 | 122.2° | 120.0° |
| C3 | C2 | H1 | 118.9° | 119.8° |
| C6 | C5 | C13 | 113.4° | 120.1° |
| C6 | C5 | C4 | 120.8° | 119.7° |
| C5 | C6 | H2 | 118.5° | 120.0° |
| BR1 | C3 | C4 | 125.5° | 120.0° |
| C3 | C4 | C5 | 114.4° | 119.6° |
| C3 | C4 | C7 | 122.3° | 120.2° |
| C13 | C5 | C4 | 125.8° | 120.2° |
| C5 | C13 | C17 | 127.5° | 127.2° |
| C5 | C13 | C14 | 125.5° | 127.1° |
| C5 | C4 | C7 | 123.3° | 120.2° |
| C17 | C13 | C14 | 107.0° | 105.8° |
| C13 | C17 | O1 | 111.6° | 108.4° |
| C13 | C17 | H12 | 124.2° | 125.7° |
| C13 | C14 | C15 | 103.4° | 106.0° |
| C13 | C14 | H11 | 128.3° | 127.0° |
| C4 | C7 | C8 | 122.6° | 120.1° |
| C4 | C7 | C12 | 120.7° | 120.0° |
| C17 | O1 | C15 | 104.5° | 110.8° |
| O1 | C17 | H12 | 124.2° | 125.8° |
| C14 | C15 | O1 | 113.6° | 109.0° |
| C15 | C14 | H11 | 128.3° | 127.0° |
| C14 | C15 | H13 | 123.2° | 125.5° |
| O1 | C15 | H13 | 123.2° | 125.5° |
| C8 | C7 | C12 | 116.7° | 119.9° |
| C7 | C8 | C9 | 121.4° | 119.9° |
| C7 | C8 | H3 | 119.3° | 120.0° |
| C7 | C12 | C11 | 122.1° | 119.9° |
| C7 | C12 | H6 | 119.0° | 120.1° |
| C8 | C9 | C10 | 120.7° | 120.0° |
| C9 | C8 | H3 | 119.3° | 120.0° |
| C8 | C9 | H4 | 119.7° | 120.0° |
| C12 | C11 | C10 | 119.8° | 120.1° |
| C12 | C11 | H5 | 120.1° | 120.0° |
| C11 | C12 | H6 | 119.0° | 120.0° |
| C9 | C10 | C11 | 119.3° | 120.2° |
| C9 | C10 | O14 | 118.0° | 119.9° |
| C10 | C9 | H4 | 119.6° | 120.0° |
| C11 | C10 | O14 | 122.8° | 120.0° |
| C10 | C11 | H5 | 120.1° | 119.9° |
| C10 | O14 | H7 | 109.5° | 113.9° |
| H8 | C16 | H9 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O17 | C16 | C1 | H8 | 119.9° | 120.0° |
| O17 | C16 | C1 | H9 | 119.9° | 120.0° |
| O17 | C16 | C1 | C2 | 127.9° | 90.1° |
| O17 | C16 | C1 | C6 | 52.3° | 90.3° |
| O17 | C16 | H8 | H9 | 120.3° | 119.9° |
| C16 | C1 | C2 | C6 | 179.8° | 179.6° |
| C16 | C1 | C2 | C3 | 179.8° | 179.8° |
| C16 | C1 | C6 | C5 | 180.0° | 179.7° |
| C16 | C1 | C2 | H1 | 0.2° | 0.4° |
| C16 | C1 | C6 | H2 | 0.0° | 0.4° |
| C1 | C16 | H8 | H9 | 120.2° | 120.1° |
| C1 | C16 | O17 | H10 | 180.0° | 179.9° |
| C1 | C2 | C3 | H1 | 180.0° | 179.9° |
| C2 | C1 | C6 | C5 | 0.1° | 0.1° |
| C1 | C2 | C3 | BR1 | 179.2° | 179.9° |
| C1 | C2 | C3 | C4 | 0.1° | 0.1° |
| C2 | C1 | C6 | H2 | 179.8° | 180.0° |
| C2 | C1 | C16 | H8 | 8.0° | 150.0° |
| C2 | C1 | C16 | H9 | 112.2° | 29.9° |
| C6 | C1 | C2 | C3 | 0.0° | 0.2° |
| C1 | C6 | C5 | H2 | 180.0° | 179.9° |
| C1 | C6 | C5 | C13 | 179.5° | 180.0° |
| C1 | C6 | C5 | C4 | 0.2° | 0.0° |
| C6 | C1 | C2 | H1 | 180.0° | 180.0° |
| C6 | C1 | C16 | H8 | 172.2° | 29.6° |
| C6 | C1 | C16 | H9 | 67.6° | 149.7° |
| C2 | C3 | BR1 | C4 | 179.3° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C2 | C3 | C4 | C7 | 179.9° | 180.0° |
| C6 | C5 | C4 | C3 | 0.1° | 0.0° |
| C6 | C5 | C13 | C4 | 179.3° | 180.0° |
| C6 | C5 | C13 | C17 | 108.6° | 55.7° |
| C6 | C5 | C13 | C14 | 70.8° | 124.0° |
| C6 | C5 | C4 | C7 | 179.7° | 180.0° |
| BR1 | C3 | C4 | C5 | 179.2° | 180.0° |
| BR1 | C3 | C4 | C7 | 0.6° | 0.0° |
| BR1 | C3 | C2 | H1 | 0.8° | 0.1° |
| C3 | C4 | C5 | C13 | 179.3° | 180.0° |
| C3 | C4 | C5 | C7 | 179.8° | 180.0° |
| C3 | C4 | C7 | C8 | 63.1° | 68.0° |
| C3 | C4 | C7 | C12 | 116.7° | 112.4° |
| C4 | C3 | C2 | H1 | 179.9° | 180.0° |
| C5 | C13 | C17 | C14 | 179.5° | 179.8° |
| C13 | C5 | C4 | C7 | 0.5° | 0.0° |
| C5 | C13 | C17 | O1 | 179.8° | 180.0° |
| C5 | C13 | C14 | C15 | 179.7° | 180.0° |
| C13 | C5 | C6 | H2 | 0.4° | 0.0° |
| C5 | C13 | C14 | H11 | 0.3° | 0.0° |
| C5 | C13 | C17 | H12 | 0.2° | 0.1° |
| C4 | C5 | C13 | C17 | 70.8° | 124.2° |
| C4 | C5 | C13 | C14 | 109.9° | 56.0° |
| C5 | C4 | C7 | C8 | 116.7° | 112.0° |
| C5 | C4 | C7 | C12 | 63.5° | 67.6° |
| C4 | C5 | C6 | H2 | 179.8° | 179.9° |
| C13 | C17 | O1 | H12 | 180.0° | 179.9° |
| C17 | C13 | C14 | C15 | 0.2° | 0.2° |
| C13 | C17 | O1 | C15 | 0.3° | 0.2° |
| C17 | C13 | C14 | H11 | 179.8° | 179.8° |
| C14 | C13 | C17 | O1 | 0.3° | 0.2° |
| C13 | C14 | C15 | H11 | 180.0° | 180.0° |
| C13 | C14 | C15 | O1 | 0.0° | 0.2° |
| C14 | C13 | C17 | H12 | 179.7° | 179.7° |
| C13 | C14 | C15 | H13 | 180.0° | 180.0° |
| C4 | C7 | C8 | C12 | 179.8° | 179.7° |
| C4 | C7 | C8 | C9 | 179.9° | 180.0° |
| C4 | C7 | C12 | C11 | 179.7° | 179.7° |
| C4 | C7 | C8 | H3 | 0.1° | 0.1° |
| C4 | C7 | C12 | H6 | 0.3° | 0.1° |
| C17 | O1 | C15 | C14 | 0.1° | 0.0° |
| C17 | O1 | C15 | H13 | 179.9° | 179.8° |
| C14 | C15 | O1 | H13 | 180.0° | 179.8° |
| O1 | C15 | C14 | H11 | 180.0° | 179.9° |
| C15 | O1 | C17 | H12 | 179.7° | 179.8° |
| C7 | C8 | C9 | H3 | 180.0° | 179.9° |
| C8 | C7 | C12 | C11 | 0.5° | 0.7° |
| C7 | C8 | C9 | C10 | 0.4° | 0.0° |
| C7 | C8 | C9 | H4 | 179.6° | 180.0° |
| C8 | C7 | C12 | H6 | 179.5° | 179.7° |
| C12 | C7 | C8 | C9 | 0.1° | 0.3° |
| C7 | C12 | C11 | H6 | 180.0° | 179.6° |
| C7 | C12 | C11 | C10 | 0.4° | 0.7° |
| C12 | C7 | C8 | H3 | 179.9° | 179.7° |
| C7 | C12 | C11 | H5 | 179.6° | 179.7° |
| C8 | C9 | C10 | H4 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.5° | 0.1° |
| C8 | C9 | C10 | O14 | 179.1° | 180.0° |
| C12 | C11 | C10 | C9 | 0.1° | 0.4° |
| C12 | C11 | C10 | H5 | 180.0° | 179.6° |
| C12 | C11 | C10 | O14 | 179.4° | 179.7° |
| C9 | C10 | C11 | O14 | 179.5° | 179.9° |
| C10 | C9 | C8 | H3 | 179.7° | 180.0° |
| C9 | C10 | C11 | H5 | 179.9° | 180.0° |
| C9 | C10 | O14 | H7 | 180.0° | 90.0° |
| C11 | C10 | C9 | H4 | 179.5° | 180.0° |
| C10 | C11 | C12 | H6 | 179.6° | 179.7° |
| C11 | C10 | O14 | H7 | 0.5° | 90.1° |
| O14 | C10 | C9 | H4 | 0.9° | 0.1° |
| O14 | C10 | C11 | H5 | 0.6° | 0.1° |
| H3 | C8 | C9 | H4 | 0.3° | 0.1° |
| H5 | C11 | C12 | H6 | 0.4° | 0.1° |
| H8 | C16 | O17 | H10 | 60.1° | 59.9° |
| H9 | C16 | O17 | H10 | 60.1° | 60.0° |
| H11 | C14 | C15 | H13 | 0.0° | 0.1° |
